⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30143314 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9052599 | 0.61 | CA1 (0.32) | — | |
| SCHEMBL816002 | 0.59 | — | — | |
| SCHEMBL26606283 | 0.57 | CA1 (0.34) | — | |
| SCHEMBL29442976 | 0.56 | ALDH1A1 (0.44) | — | |
| SCHEMBL4623560 | 0.56 | ALDH1A1 (0.44) | — | |
| SCHEMBL15291748 | 0.56 | ALDH1A1 (0.44) | — | |
| SCHEMBL2233477 | 0.56 | — | — | |
| SCHEMBL2959012 | 0.56 | — | — | |
| SCHEMBL12219434 | 0.56 | MAPT (0.52) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098513-B1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-01-21 | — | — | EP | disclosed |